----- Original Message ----- From: afsaneh maleki <[email protected]> Date: Friday, January 29, 2010 1:56 Subject: Re: [gmx-users] hblife To: [email protected], Discussion list for GROMACS users <[email protected]>
> thanks dear justin' > > it is right that the output of the analysis tools generally writes axis > labels and data set legends. in hblife.xyg file is written that x axis > label "Time (ps)" and the last time is written 14300.001 whereas my simulated > time is 40000 ps not 143000.00 ps Axis labels are different from legend labels. Please cite the full command line, not an abbreviated one. The .xvg shows the full line. Other options can have effects on the output, though it is not clear if/why that might be true here. Try a simple g_hbond -life calculation and see if it differs. Mark i send you this file > > Best wishes, > Afsaneh > > On Thu, Jan 28, 2010 at 6:04 PM, Justin A. Lemkul <[email protected]> wrote: > > > afsaneh maleki wrote: > Hi, > > would you please elaborate the first column in the hblife.xvg file? > hblife.xyg is the output of the following command: > g_hbond -life hblife.xvg > this column don't show the real time in simulated system.what are these times? > > > Check the headers in the .xvg file; the output of the analysis tools generally writes axis labels and data set legends. If it still doesn't make sense, post a snippet of your file. > > -Justin > > thanks in advance, > Afsaneh > > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > -- > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search > before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
